orbital_charges     :real:2:4,5
  0.131084352742986E+001  0.991174782812755E+000  0.100942993972318E+001
  0.985628903620443E+000  0.939095352758559E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.946139560997895E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.932063573870578E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.946337728700614E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,5
  0.141002627555541E-001 -0.195964106712139E-001 -0.604625111314351E-002
 -0.105941051563068E-001 -0.244843286282338E-003  0.432220681918047E-003
 -0.265904953974157E-001  0.402886581693862E-002 -0.791400514288985E-002
  0.111138356576383E-001 -0.875574750991771E-002  0.314860236189996E-002
  0.119595720548877E-001  0.245803983506012E-001  0.103837883022085E-001
mermin_energy       :real:0:
 -0.315595525270345E+001
end_coords          :real:2:3,5
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.207869858743682E+001
  0.213798089777377E+001  0.000000000000000E+000 -0.377945197715785E+000
 -0.106899044888689E+001  0.166257317142006E+001 -0.755890395431569E+000
 -0.880017850028995E+000 -0.185154577027795E+001 -0.755890395431569E+000
